1-[1,3-benzodioxol-5-yl-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-chlorophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-chlorophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-chlorophenyl)methyl]pipecolinic acid Formula: C20H20ClNO4 MolecularWeight: 373.8301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20ClNO4/c21-15-7-4-13(5-8-15)19(22-10-2-1-3-16(22)20(23)24)14-6-9-17-18(11-14)26-12-25-17/h4-9,11,16,19H,1-3,10,12H2,(H,23,24)